data_global _chemical_name_mineral 'Cementite' loop_ _publ_author_name 'Fruchart D' 'Chaudouet P' 'Fruchart R' 'Rouault A' 'Senateur J P' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 51 _journal_year 1984 _journal_page_first 246 _journal_page_last 252 _publ_section_title ; Etudes structurales de composes de type cementite: effet de l'hydrogene sur Fe3C suivi par diffraction neutronique. Spectrometrie Mossbauer sur FeCo2B et Co3B dopes au 57Fe ; _database_code_amcsd 0013523 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe3 C' _cell_length_a 5.092 _cell_length_b 6.741 _cell_length_c 4.527 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 155.390 _exptl_crystal_density_diffrn 7.675 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Fe1 0.18340 0.06890 0.33440 0.00545 Fe2 0.03880 0.25000 0.84220 0.01267 C 0.87640 0.25000 0.44260 0.01140